CHEMBL1257913


SMILES Oc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1
InChIKey OBNBHAGRBKUSPV-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 8
Molecular weight (Da) 476.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pKi 7.22 7.22 7.22 ChEMBL
β3 ADRB3 Human Adrenoceptors A pKi 8.07 8.07 8.07 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 8.22 8.22 8.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pEC50 9.24 9.24 9.24 ChEMBL
β3 ADRB3 Human Adrenoceptors A pEC50 9.21 9.21 9.21 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 7.0 7.0 7.0 ChEMBL